Abstract: An aqueous solution formulation containing Compound (I) can be manufactured by performing a first step of preparing a dissolution liquid obtained by dissolving a compound represented by Formula (I) below or a pharmacologically acceptable salt thereof and a compound represented by any of General Formulas (II) to (IV) below in an organic solvent, a second step of removing the organic solvent from the dissolution liquid, and a third step of adding a solution to residual substances obtained through the second step to dissolve the residual substances.

Abstract: An aqueous solution formulation containing Compound (I) can be manufactured by performing a first step of preparing a dissolution liquid obtained by dissolving a compound represented by Formula (I) below or a pharmacologically acceptable salt thereof and a compound represented by any of General Formulas (II) to (IV) below in an organic solvent, a second step of removing the organic solvent from the dissolution liquid, and a third step of adding a solution to residual substances obtained through the second step to dissolve the residual substances.

Abstract: Methods for searching stable docking models of biopolymer-ligand molecule complex, which comprise the steps of: (1) searching possible hydrogen-bond schemes between a biopolymer and a ligand molecule by preparing possible combination sets of hydrogen-bonding heteroatoms in the ligand molecule with dummy atoms located at the positions of heteroatoms that can be hydrogen-bond partners to hydrogen-bonding functional groups in the biopolymer; (2) estimating the possible the hydrogen-bond schemes between the biopolymer and ligand molecule and the possible conformations of a hydrogen-bonding part of the ligand molecule at the same time by comparing the distances between the dummy atoms with the distances between the hydrogen-bonding heteroatoms; and (3) obtaining the possible docking models of the biopolymer-ligand molecule complex by changing the coordinates of all atoms of the ligand molecule into the coordinate system of the biopolymer, according to the correspondences between the hydrogen-bonding heteroatoms in

Abstract: A method for selecting lead-candidate compounds capable of binding to a receptor biopolymer from a database containing information about atomic types and mode of covalent bonds of compounds by using a computer, comprising a step of selecting candidate compounds from compounds stored in the database based on quantitative, two-dimensional and/or three-dimensional information of one or more query molecules capable of binding to the biopolymer. The query molecules can be obtained by an automatic structure construction method, for example. The lead-candidate compounds capable of binding to the biopolymer can be retrieved rapidly by using an ordinary personal computer or workstation without requiring huge calculation.

Abstract: A method of predicting biological functions of query proteins whose steric structures are known or predictable, using a three-dimensional structure database storing bio-active compounds which bind to target proteins with known biological functions, which comprises the steps of:

Abstract: A method for creating physiologically active compounds, comprising the following steps: (1) generating a compound database storing molecular structures covering all the combinations of at least one substitution site selected from substitutable sites existing on a basic molecular skeleton and utilizable substituents; and (2) extracting molecular structures satisfying requirements for exhibiting the physiological activity from the compound database.

Abstract: Methods for searching stable docking models of biopolymer-ligand molecule complex, which comprise the steps of: (1) searching possible hydrogen-bond schemes between a biopolymer and a ligand molecule by preparing possible combination sets of hydrogen-bonding heteroatoms in the ligand molecule with dummy atoms located at the positions of heteroatoms that can be hydrogen-bond partners to hydrogen-bonding functional groups in the biopolymer; (2) estimating the possible the hydrogen-bond schemes between the biopolymer and ligand molecule and the possible conformations of a hydrogen-bonding part of the ligand molecule at the same time by comparing the distances between the dummy atoms with the distances between the hydrogen-bonding heteroatoms; and (3) obtaining the possible docking models of the biopolymer-ligand molecule complex by changing the coordinates of all atoms of the ligand molecule into the coordinate system of the biopolymer, according to the correspondences between the hydrogen-bonding heteroatoms in